2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride

C20H25Cl2N5O2 — CID 119870904

IUPAC2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1.Cl.Cl
InChIInChI=1S/C20H23N5O2.2ClH/c1-27-12-11-22-14-19(26)23-13-17-15-25(18-5-3-2-4-6-18)24-20(17)16-7-9-21-10-8-16;;/h2-10,15,22H,11-14H2,1H3,(H,23,26);2*1H
InChIKeyCHQKANIXDUAKGP-UHFFFAOYSA-N
MW438.36 g/mol
LogP2.63
Rot. Bonds9

About 2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride

2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride (PubChem CID 119870904) has the molecular formula C20H25Cl2N5O2 and a molecular weight of 438.36 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride
PubChem CID119870904
Molecular FormulaC20H25Cl2N5O2
Molecular Weight438.36 g/mol
Exact Mass437.14
IUPAC Name2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1.Cl.Cl
InChIInChI=1S/C20H23N5O2.2ClH/c1-27-12-11-22-14-19(26)23-13-17-15-25(18-5-3-2-4-6-18)24-20(17)16-7-9-21-10-8-16;;/h2-10,15,22H,11-14H2,1H3,(H,23,26);2*1H
InChIKeyCHQKANIXDUAKGP-UHFFFAOYSA-N
XLogP2.63
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119689500
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]isoquinoline-1-carboxamide
CID 52822334
2-(cyclopropylmethylamino)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide;hydrochloride
CID 119694555
2-(2-methoxyethylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119709577
2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
CID 49013444
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807
(3S)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 52798075
N-(3-methoxypropyl)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 34974205
2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
CID 60604754
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
CID 48947247

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride (CID 119870904) is 2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride is COCCNCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride?
The InChIKey is CHQKANIXDUAKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.2ClH/c1-27-12-11-22-14-19(26)23-13-17-15-25(18-5-3-2-4-6-18)24-20(17)16-7-9-21-10-8-16;;/h2-10,15,22H,11-14H2,1H3,(H,23,26);2*1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride?
2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride has a molecular weight of 438.36 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119870904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).